Information card for entry 7034300

Structure parameters

• Formula: C26 H38 Ni O2 P2
• Calculated formula: C26 H38 Ni O2 P2
• SMILES: c12c3cccc2O[P]([Ni]1(/C=C/c1ccccc1)[P](C(C)C)(O3)C(C)C)(C(C)C)C(C)C
• Title of publication: Reactions of phenylacetylene with nickel POCOP-pincer hydride complexes resulting in different outcomes from their palladium analogues.
• Authors of publication: Wilson, Gleason L. O.; Abraha, Medhanei; Krause, Jeanette A.; Guan, Hairong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12128 - 12136
• a: 7.8641 ± 0.0003 Å
• b: 14.1716 ± 0.0005 Å
• c: 11.9392 ± 0.0004 Å
• α: 90°
• β: 101.328 ± 0.002°
• γ: 90°
• Cell volume: 1304.67 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No